2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(3-phenylisoxazol-5-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-phenyl-5-isoxazolyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-phenylisoxazol-5-yl)methylthio]nicotinate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3S/c19-16(20)13-7-4-8-17-15(13)22-10-12-9-14(18-21-12)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)/p-1